Journal Contents: International Journal of Quantitative Structure-Property Relationships (IJQSPR)

Volume 2 (2017)
Issue 1
Special Issue on QSPR Applications in Food and Agricultural Sciences, Part 1
Guest Editorial Preface
Matheus Puggina de Freitas (Department of Chemistry, Federal University of Lavras, Lavras, Brazil)
Article 1
The Application of Classical QSAR to Agrochemical Research (pages 1-18)
Toshio Fujita (Kyoto University, Kyoto, Japan)
Article 2
Predictive Quantitative Structure Toxicity Relationship Study on Avian Toxicity of Some Diverse Agrochemical Pesticides by Monte Carlo Method: QSTR on Pesticides (pages 19-34)
Amit Kumar Halder (Natural Science Laboratory, Division of Medicinal and Pharmaceutical Chemistry, Department of Pharmaceutical Technology, Jadavpur University, Kolkata, India), Achintya Saha (Department of Chemical Technology, University of Calcutta, Kolkata, India), Tarun Jha (Natural Science Laboratory, Division of Medicinal and Pharmaceutical Chemistry, Department of Pharmaceutical Technology, Jadavpur University, Kolkata, India)
Article 3
QSPR Modeling is Able to Predict Retention Times of Fatty Acids Using Simple Molecular Descriptors (pages 35-43)
Mariene H. Duarte (Federal University of Lavras, Lavras, Brazil), Matheus P. Freitas (Department of Chemistry, Federal University of Lavras, Lavras, Brazil), Cleiton Nunes (Department of Food Science, Federal University of Lavras, Lavras, Brazil)
Article 4
2D and 3D QSAR Studies on a Series of Antichagasic Fenarimol Derivatives (pages 44-63)
Anacleto S. de Souza (Instituto de Física de São Carlos, Universidade de São Paulo, São Carlos, Brazil), Leonardo G. Ferreira (Instituto de Física de São Carlos, Universidade de São Paulo, São Carlos, Brazil), Adriano D. Andricopulo (Instituto de Física de São Carlos, Universidade de São Paulo, São Carlos, Brazil)
Article 5
Structural Requirement of PPARα Agonist Through QSARs and Molecular Simulation Analyses (pages 64-79)
Ashis Nandy (Department of Chemical Technology, University of Calcutta, Kolkata, India), Achintya Saha (Department of Chemical Technology, University of Calcutta, Kolkata, India)
Article 6
In Silico Strategy for Diagnosis of Chronic Kidney Disease (pages 80-94)
Nikita Basant (ETRC, Lucknow, India), Shikha Gupta (CSIR-IITR, Lucknow, India)
Article 7
Modeling of Radiometal Complexation Formation with Bifunctional Coupling Agents Using Ligand-Metal Interaction Profile (pages 95-105)
Maryam Salahinejad (Nuclear Science and Technology Research Institute, Tehran, Iran), Ehsan Zolfonoun (NFCRS, Nuclear Science and Technology Research Institute, Tehran, Iran)
Article 8
Multilayered Variable Selection in QSPR: A Case Study of Modeling Melting Point of Bromide Ionic Liquids (pages 106-124)
Souvik Das (Drug Theoretics and Cheminformatics Laboratory, Department of Pharmaceutical Technology, Jadavpur University, Kolkata, India), Probir K Ojha (Drug Theoretics and Cheminformatics Laboratory, Department of Pharmaceutical Technology, Jadavpur University, Kolkata India, India), Kunal Roy (Drug Theoretics and Cheminformatics Laboratory, Department of Pharmaceutical Technology, Jadavpur University, Kolkata India, India)
Solved and Unsolved Problems of Structural Chemistry
Book Review
Kunal Roy (Drug Theoretics and Cheminformatics Laboratory, Department of Pharmaceutical Technology, Jadavpur University, Kolkata, India)
Volume 1 (2016)
Issue 1
Inaugural Issue: Part 1
Editorial Preface
Kunal Roy (Department of Pharmaceutical Technology, Jadavpur University, Kolkata, India)
Article 1
The History and Development of Quantitative Structure-Activity Relationships (QSARs) (pages 1-44)
John C. Dearden (School of Pharmacy and Biomolecular Sciences, Liverpool John Moores University, Liverpool, UK)
Article 2
Applicability Domain for QSAR Models: Where Theory Meets Reality (pages 45-63)
Domenico Gadaleta (University of Bari, Bari, Italy), Giuseppe Felice Mangiatordi (University of Bari, Bari, Italy), Marco Catto (University of Bari, Bari, Italy), Angelo Carotti (University of Bari, Bari, Italy), Orazio Nicolotti (University of Bari, Bari, Italy)
Article 3
Ten Years of the MIA-QSAR Strategy: Historical Development and Applications (pages 64-77)
Stephen Jones Barigye (Federal University of Lavras, Lavras, Brazil), Matheus Puggina de Freitas (Federal University of Lavras, Lavras, Brazil)
Article 4
A New QSPR Study on Relative Sweetness (pages 78-93)
Cristian Rojas (Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas INIFTA (CCT La Plata-CONICET, UNLP), La Plata, Argentina & Decanato General de Investigaciones, Universidad del Azuay, Cuenca, Ecuador), Piercosimo Tripaldi (Laboratorio de Química-Física de Alimentos, Facultad de Ciencia y Tecnología, Universidad del Azuay, Cuenca, Ecuador), Pablo R. Duchowicz (Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas INIFTA (CCT La Plata-CONICET, UNLP), La Plata, Argentina)
Issue 2
Inaugural Issue, Part 2
Editorial Preface
Kunal Roy (Department of Pharmaceutical Technology, Jadavpur University, Kolkata, India)
Article 1
Molecular Spaces Quantum Quantitative Structure-Properties Relations (QQSPR): A Quantum Mechanical Comprehensive Theoretical Framework (pages 1-22)
Ramon Carbó-Dorca (Institut de Química Computacional i Catàlisi, Universitat de Girona,Girona, Spain), Silvia González (Departamento de Química, Universidad Técnica Particular de Loja,Loja, Ecuador)
Article 2
Can Toxicity for Different Species be Correlated?: The Concept and Emerging Applications of Interspecies Quantitative Structure-Toxicity Relationship (i-QSTR) Modeling (pages 23-51)
Supratik Kar (Jackson State University, Jackson, MS, USA), Rudra Narayan Das (Jadavpur University, Kolkata, India), Kunal Roy (Department of Pharmaceutical Technology, Jadavpur University, Kolkata, India), Jerzy Leszczynski (Jackson State University, MS, USA)
Article 3
Evolution of Optimal Descriptors: Solved, Unsolved, and Unsoluble Tasks (pages 52-71)
Alla P. Toropova (Laboratory of Environmental Chemistry and Toxicology, IRCCS-Istituto di Ricerche Farmacologiche Mario Negri, Milano, Italy), Andrey A. Toropov (Laboratory of Environmental Chemistry and Toxicology, IRCCS-Istituto di Ricerche Farmacologiche Mario Negri, Milano, Italy)
Article 4
QSPR-Modeling for the Second Virial Cross-Coefficients of Binary Organic Mixtures (pages 72-84)
Elena Mokshyna (O.V. Bogatsky Physico-Chemical Intstitute NAS of Ukraine, Odessa, Ukraine), Pavel Polishchuk (O.V. Bogatsky Physico-Chemical Intstitute NAS of Ukraine, Odessa, Ukraine), Vadim Nedostup (O.V. Bogatsky Physico-Chemical Intstitute NAS of Ukraine, Odessa, Ukraine), Victor Kuz'min (O.V. Bogatsky Physico-Chemical Intstitute NAS of Ukraine, Odessa, Ukraine)
Article 5
A QSAR Study of Human Thymidine Phosphorylase Inhibitors with SMILES-Based Descriptors (pages 85-100)
Adriana Santos Costa (Theoretical, Medicinal and Environmental Chemistry Laboratory (LQMAT), Department of Pharmacy, Western Paraná State University (UNIOESTE), Cascavel, Brazil), Eduardo Borges de Melo (Theoretical, Medicinal and Environmental Chemistry Laboratory (LQMAT), Department of Pharmacy, Western Paraná State University (UNIOESTE), Cascavel, Brazil)